N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide

C24H20F2N2O2 — CID 159681783

IUPACN-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Cc2ccc(F)cc2F)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C24H20F2N2O2/c1-4-15-10-18(14-28(3)24(15)30)21-13-20(27-23(29)5-2)9-7-16(21)11-17-6-8-19(25)12-22(17)26/h2,6-10,12-14H,4,11H2,1,3H3,(H,27,29)
InChIKeyMVHINDLVHBBMMK-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.06
Rot. Bonds5

About N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide

N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide (PubChem CID 159681783) has the molecular formula C24H20F2N2O2 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide
PubChem CID159681783
Molecular FormulaC24H20F2N2O2
Molecular Weight406.43 g/mol
Exact Mass406.15
IUPAC NameN-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc(Cc2ccc(F)cc2F)c(-c2cc(CC)c(=O)n(C)c2)c1
InChIInChI=1S/C24H20F2N2O2/c1-4-15-10-18(14-28(3)24(15)30)21-13-20(27-23(29)5-2)9-7-16(21)11-17-6-8-19(25)12-22(17)26/h2,6-10,12-14H,4,11H2,1,3H3,(H,27,29)
InChIKeyMVHINDLVHBBMMK-UHFFFAOYSA-N
XLogP4.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide with MolForge

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Related Compounds

N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]but-2-ynamide
CID 161013266
N-[4-[(2,6-dimethylphenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide
CID 161445844
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-[(2-fluoro-4-methylphenyl)methyl]phenyl]-N-methylprop-2-enamide
CID 163874635
N-[4-(2,4-difluorophenoxy)-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]ethenesulfonamide
CID 157238786
2-cyano-N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(2-fluoro-4-methylphenoxy)phenyl]prop-2-enamide
CID 163756529
N-[4-(2,6-dimethylanilino)-3-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]phenyl]prop-2-ynamide
CID 146575656
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxophthalazin-1-yl)phenyl]prop-2-ynamide
CID 146575867
N-[3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)-4-(4-fluorophenoxy)phenyl]ethenesulfonamide
CID 160859383
N-[4-(4-fluoro-2,6-dimethylanilino)-3-(2-methyl-1-oxoisoquinolin-4-yl)phenyl]prop-2-ynamide
CID 146575659
4-[5-amino-2-[(2,4-difluorophenyl)methyl]phenyl]-2-methylisoquinolin-1-one
CID 158491150
N-[6-(4-fluorophenoxy)-5-[1-methyl-5-(methylamino)-6-oxo-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]prop-2-ynamide
CID 146575578
N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-[(2-fluoro-4-methylphenyl)methyl]phenyl]ethenesulfonamide;bis(N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-[(4-methylphenyl)methyl]phenyl]ethenesulfonamide);bis(N-[3-[5-(dimethylamino)-1-methyl-6-oxo-3-pyridinyl]-4-[(4-methylphenyl)methyl]phenyl]prop-2-enamide)
CID 163773874

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide?
The IUPAC name of N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide (CID 159681783) is N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide.
What is the SMILES notation for N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide?
The canonical SMILES for N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide is C#CC(=O)Nc1ccc(Cc2ccc(F)cc2F)c(-c2cc(CC)c(=O)n(C)c2)c1.
What is the InChIKey of N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide?
The InChIKey is MVHINDLVHBBMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2/c1-4-15-10-18(14-28(3)24(15)30)21-13-20(27-23(29)5-2)9-7-16(21)11-17-6-8-19(25)12-22(17)26/h2,6-10,12-14H,4,11H2,1,3H3,(H,27,29).
What are the key properties of N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide?
N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide has a molecular weight of 406.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-difluorophenyl)methyl]-3-(5-ethyl-1-methyl-6-oxo-3-pyridinyl)phenyl]prop-2-ynamide is sourced from PubChem (CID 159681783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).